Heptane

Heptane

SCHEMBL4604507

C=CCCCCCC.CCCCCCC.CO.Cc1ccccc1.c1ccsc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.37
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
FAAH O00519 2/20 0.35
EPHX2 P34913 2/20 0.35
ALOX15 P16050 1/20 0.34
EGFR P00533 1/20 0.34
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CSNK1E P49674 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Toluene SCHEMBL11011055 0.87 TSHR (0.61) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL8147547 0.87 TSHR (0.61) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL11023406 0.87 TSHR (0.61) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL782975 0.87 TSHR (0.61) TSHRALDH1A1SOAT2SOAT1FAAH
Heptane SCHEMBL6130166 0.87 TSHR (0.61) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL20497325 0.84 TSHR (0.53) TSHRALDH1A1SOAT2SOAT1FAAH
Octane SCHEMBL28214260 0.84 LMNA (0.46) TSHREPHX2HTTCSNK1E
Toluene SCHEMBL20497322 0.83 TSHR (0.52) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL9153035 0.83 TSHR (0.55) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL998833 0.81 TSHR (0.58) TSHRALDH1A1HTTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358300-B1 PROCESS FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS WITH IONIC MEMBRANES EXXONMOBIL RES & ENG CO (US) 2008-07-09 EP disclosed
EP-1358300-A4 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS EXXONMOBIL RES & ENG CO (US) 2005-02-02 EP disclosed
US-6702945-B2 CONTACTING HYDROCARBON MIXTURE CONTAINING SULFUR COMPOUND WITH MEMBRANE; SELECTIVELY PERMEATING SULFUR COMPOUNDS OF HYDROCARBON MIXTURE THROUGH MEMBRANE FORMING SULFUR-RICH PERMEATE AND SULFUR-LEAN RETENTATE; RETRIEVING EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-03-09 US disclosed
EP-1358300-A1 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS ExxonMobil Research and Engineering Company (US) 2003-11-05 EP disclosed
US-20020130079-A1 Ionic membranes for organic sulfur separation from liquid hydrocarbon solutions EXXONMOBIL RESEARCH & ENGINEERING CO. 2002-09-19 US disclosed
WO-2002053682-A1 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2002-07-11 WO disclosed